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	hartrees
Energy at 0K	-90.615914
Energy at 298.15K	-90.615723
HF Energy	-90.615914
Nuclear repulsion energy	17.545969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	4025	4025	137.68	119.64	0.19	0.32
2	A'	1281	1281	122.05	3.90	0.73	0.85
3	A'	345	345	171.62	4.15	0.73	0.84

Atom	x (Å)	y (Å)
O1	0.045	-0.371
Be2	0.045	1.024
H3	-0.534	-1.125

	O1	Be2	H3
O1		1.3947	0.9507
Be2	1.3947		2.2253
H3	0.9507	2.2253

Number	Element	Mulliken
1	O	-0.135
2	Be	-0.069
3	H	0.204

All results from a given calculation for BeOH (beryllium monohydroxide)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	-0.965	-0.639	0.000	1.157
CHELPG
AIM
ESP

	x	y	z
x	5.361	0.060	0.000
y	0.060	4.600	0.000
z	0.000	0.000	5.181

<r²>	14.310
(<r²>)^1/2	3.783